SCHEMBL5724293

SCHEMBL5724293

COC[C@@H]1C[C@@H](OC)CN1c1c(C)nc(-c2ccc(Cl)cc2Cl)n(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.37
HSD11B1 P28845 2/20 0.37
TNKS O95271 1/20 0.37
DPP4 P27487 4/20 0.36
DPP8 Q6V1X1 2/20 0.36
DPP9 Q86TI2 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 1/20 0.35
TACR1 P25103 1/20 0.34
TACR3 P29371 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5724691 0.90 CRHR1 (0.35) CRHR1HSD11B1TNKSDPP4DPP8
SCHEMBL5724242 0.89 TACR1 (0.36) CRHR1ADORA2AADORA1TACR1TACR3
SCHEMBL5724420 0.89 CRHR1 (0.48) CRHR1DPP4DPP8DPP9ADORA2A
SCHEMBL5724697 0.88 TACR1 (0.42) CRHR1HSD11B1ADORA2AADORA1TACR1
SCHEMBL5724157 0.83 CRHR1 (0.40) CRHR1ADORA2AADORA1
SCHEMBL5728223 0.83 CRHR1 (0.40) CRHR1ADORA2AADORA1
SCHEMBL5728233 0.83 CRHR1 (0.40) CRHR1ADORA2AADORA1
SCHEMBL5724204 0.80 CRHR1 (0.43) CRHR1ADORA2AADORA1PDE10ATACR1
SCHEMBL5724586 0.80 CRHR1 (0.43) CRHR1DPP4DPP8DPP9ADORA2A
SCHEMBL5725756 0.80 TACR1 (0.35) CRHR1ADORA2AADORA1TACR1TACR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620428-A1 SUBSTITUTED PYRIMIDINONES AND PYRIMIDINTHIONES AS CRF ANTAGONISTS Pharmacia & Upjohn Company LLC (US) 2006-02-01 EP claimed
US-20050143403-A1 Substituted pyrimidinones and pyrimidinthiones PFIZER INC 2005-06-30 US claimed
WO-2004094408-A1 SUBSTITUTED PYRIMIDINONES AND PYRIMIDINTHIONES AS CRF ANTAGONISTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-11-04 WO claimed
US-20050143403-A1 Substituted pyrimidinones and pyrimidinthiones PFIZER INC 2005-06-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050143403-A1 Substituted pyrimidinones and pyrimidinthiones CRHR1, CRH, CRHR2 CRHR1 1/4885HSD11B1 1039/4885TNKS 2450/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.